USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 LYS NZ :NH3+ 146:sc= -1.15 (180deg=-0.27) USER MOD Set 1.2: A 43 GLN : amide:sc= -0.0767 X(o=-1.2,f=-1.7) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0689 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.118 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00671 USER MOD Single : A 5 SER OG : rot 21:sc= 0.995 USER MOD Single : A 6 SER OG : rot -115:sc= 0.17 USER MOD Single : A 14 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.065) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= -0.0546 (180deg=-0.114) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 55:sc= -5.57! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00645 K(o=-0.0064,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.115 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.997 -17.135 4.139 1.00 0.00 N ATOM 2 CA GLY A 1 -13.530 -16.083 5.023 1.00 0.00 C ATOM 3 C GLY A 1 -14.428 -14.863 4.998 1.00 0.00 C ATOM 4 O GLY A 1 -15.253 -14.709 4.097 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.350 -17.933 4.705 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.764 -16.770 3.540 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.212 -17.457 3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.473 -16.467 6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.520 -15.793 4.735 1.00 0.00 H new ATOM 8 N SER A 2 -14.271 -13.993 5.991 1.00 0.00 N ATOM 9 CA SER A 2 -15.079 -12.783 6.082 1.00 0.00 C ATOM 10 C SER A 2 -14.202 -11.564 6.356 1.00 0.00 C ATOM 11 O SER A 2 -14.374 -10.512 5.741 1.00 0.00 O ATOM 12 CB SER A 2 -16.129 -12.928 7.185 1.00 0.00 C ATOM 13 OG SER A 2 -15.530 -12.885 8.468 1.00 0.00 O ATOM 0 H SER A 2 -13.592 -14.104 6.744 1.00 0.00 H new ATOM 0 HA SER A 2 -15.583 -12.639 5.126 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.866 -12.130 7.097 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.663 -13.870 7.061 1.00 0.00 H new ATOM 0 HG SER A 2 -16.222 -12.978 9.155 1.00 0.00 H new ATOM 19 N SER A 3 -13.262 -11.715 7.283 1.00 0.00 N ATOM 20 CA SER A 3 -12.360 -10.627 7.642 1.00 0.00 C ATOM 21 C SER A 3 -10.935 -11.140 7.824 1.00 0.00 C ATOM 22 O SER A 3 -10.685 -12.343 7.769 1.00 0.00 O ATOM 23 CB SER A 3 -12.837 -9.944 8.925 1.00 0.00 C ATOM 24 OG SER A 3 -12.224 -8.677 9.086 1.00 0.00 O ATOM 0 H SER A 3 -13.105 -12.581 7.799 1.00 0.00 H new ATOM 0 HA SER A 3 -12.364 -9.901 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.920 -9.826 8.897 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.607 -10.575 9.784 1.00 0.00 H new ATOM 0 HG SER A 3 -12.547 -8.260 9.912 1.00 0.00 H new ATOM 30 N GLY A 4 -10.004 -10.217 8.042 1.00 0.00 N ATOM 31 CA GLY A 4 -8.615 -10.593 8.229 1.00 0.00 C ATOM 32 C GLY A 4 -8.034 -11.287 7.012 1.00 0.00 C ATOM 33 O GLY A 4 -8.252 -12.481 6.807 1.00 0.00 O ATOM 0 H GLY A 4 -10.187 -9.215 8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.027 -9.702 8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.533 -11.252 9.093 1.00 0.00 H new ATOM 37 N SER A 5 -7.293 -10.538 6.203 1.00 0.00 N ATOM 38 CA SER A 5 -6.683 -11.087 4.997 1.00 0.00 C ATOM 39 C SER A 5 -5.523 -10.213 4.529 1.00 0.00 C ATOM 40 O SER A 5 -5.299 -9.124 5.058 1.00 0.00 O ATOM 41 CB SER A 5 -7.725 -11.210 3.884 1.00 0.00 C ATOM 42 OG SER A 5 -8.531 -12.362 4.065 1.00 0.00 O ATOM 0 H SER A 5 -7.100 -9.549 6.360 1.00 0.00 H new ATOM 0 HA SER A 5 -6.296 -12.078 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.355 -10.320 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.225 -11.261 2.917 1.00 0.00 H new ATOM 0 HG SER A 5 -8.489 -12.646 5.002 1.00 0.00 H new ATOM 48 N SER A 6 -4.788 -10.700 3.534 1.00 0.00 N ATOM 49 CA SER A 6 -3.648 -9.967 2.996 1.00 0.00 C ATOM 50 C SER A 6 -4.059 -9.137 1.784 1.00 0.00 C ATOM 51 O SER A 6 -5.164 -9.285 1.261 1.00 0.00 O ATOM 52 CB SER A 6 -2.529 -10.935 2.610 1.00 0.00 C ATOM 53 OG SER A 6 -1.866 -11.433 3.759 1.00 0.00 O ATOM 0 H SER A 6 -4.962 -11.599 3.084 1.00 0.00 H new ATOM 0 HA SER A 6 -3.283 -9.292 3.770 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.943 -11.765 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.812 -10.428 1.964 1.00 0.00 H new ATOM 0 HG SER A 6 -0.935 -11.126 3.758 1.00 0.00 H new ATOM 59 N GLY A 7 -3.161 -8.262 1.341 1.00 0.00 N ATOM 60 CA GLY A 7 -3.448 -7.421 0.193 1.00 0.00 C ATOM 61 C GLY A 7 -3.832 -8.225 -1.033 1.00 0.00 C ATOM 62 O GLY A 7 -3.339 -9.331 -1.256 1.00 0.00 O ATOM 0 H GLY A 7 -2.240 -8.121 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.258 -6.735 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.573 -6.812 -0.035 1.00 0.00 H new ATOM 66 N PRO A 8 -4.733 -7.666 -1.854 1.00 0.00 N ATOM 67 CA PRO A 8 -5.204 -8.321 -3.078 1.00 0.00 C ATOM 68 C PRO A 8 -4.124 -8.388 -4.152 1.00 0.00 C ATOM 69 O PRO A 8 -3.910 -9.433 -4.766 1.00 0.00 O ATOM 70 CB PRO A 8 -6.359 -7.428 -3.536 1.00 0.00 C ATOM 71 CG PRO A 8 -6.056 -6.089 -2.959 1.00 0.00 C ATOM 72 CD PRO A 8 -5.363 -6.350 -1.650 1.00 0.00 C ATOM 0 HA PRO A 8 -5.493 -9.357 -2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.419 -7.386 -4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.317 -7.805 -3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.420 -5.510 -3.629 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.969 -5.513 -2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.624 -5.581 -1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.068 -6.366 -0.818 1.00 0.00 H new ATOM 80 N ARG A 9 -3.445 -7.267 -4.372 1.00 0.00 N ATOM 81 CA ARG A 9 -2.387 -7.199 -5.373 1.00 0.00 C ATOM 82 C ARG A 9 -1.129 -6.560 -4.792 1.00 0.00 C ATOM 83 O ARG A 9 -0.094 -7.213 -4.656 1.00 0.00 O ATOM 84 CB ARG A 9 -2.859 -6.404 -6.592 1.00 0.00 C ATOM 85 CG ARG A 9 -3.836 -7.165 -7.474 1.00 0.00 C ATOM 86 CD ARG A 9 -4.753 -6.219 -8.233 1.00 0.00 C ATOM 87 NE ARG A 9 -5.768 -5.627 -7.365 1.00 0.00 N ATOM 88 CZ ARG A 9 -6.636 -4.707 -7.771 1.00 0.00 C ATOM 89 NH1 ARG A 9 -6.613 -4.276 -9.024 1.00 0.00 N ATOM 90 NH2 ARG A 9 -7.530 -4.216 -6.921 1.00 0.00 N ATOM 0 H ARG A 9 -3.609 -6.394 -3.871 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.148 -8.217 -5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.331 -5.482 -6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.992 -6.118 -7.187 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.284 -7.784 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.434 -7.839 -6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.159 -5.427 -8.689 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.240 -6.760 -9.044 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.813 -5.937 -6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.927 -4.651 -9.680 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.281 -3.570 -9.333 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.550 -4.545 -5.956 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.196 -3.510 -7.233 1.00 0.00 H new ATOM 104 N LEU A 10 -1.226 -5.280 -4.451 1.00 0.00 N ATOM 105 CA LEU A 10 -0.096 -4.551 -3.884 1.00 0.00 C ATOM 106 C LEU A 10 1.199 -4.907 -4.607 1.00 0.00 C ATOM 107 O LEU A 10 2.247 -5.069 -3.981 1.00 0.00 O ATOM 108 CB LEU A 10 0.039 -4.860 -2.392 1.00 0.00 C ATOM 109 CG LEU A 10 -0.774 -3.974 -1.447 1.00 0.00 C ATOM 110 CD1 LEU A 10 -2.261 -4.108 -1.736 1.00 0.00 C ATOM 111 CD2 LEU A 10 -0.477 -4.327 0.003 1.00 0.00 C ATOM 0 H LEU A 10 -2.075 -4.725 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.282 -3.485 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.254 -5.897 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.091 -4.779 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.484 -2.937 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.823 -3.470 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.461 -3.805 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.566 -5.145 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.064 -3.687 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.738 -5.370 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.584 -4.178 0.204 1.00 0.00 H new ATOM 123 N TRP A 11 1.120 -5.025 -5.928 1.00 0.00 N ATOM 124 CA TRP A 11 2.287 -5.359 -6.737 1.00 0.00 C ATOM 125 C TRP A 11 3.129 -4.119 -7.015 1.00 0.00 C ATOM 126 O TRP A 11 2.636 -2.995 -6.945 1.00 0.00 O ATOM 127 CB TRP A 11 1.852 -6.002 -8.055 1.00 0.00 C ATOM 128 CG TRP A 11 1.112 -5.062 -8.958 1.00 0.00 C ATOM 129 CD1 TRP A 11 1.555 -3.859 -9.430 1.00 0.00 C ATOM 130 CD2 TRP A 11 -0.201 -5.247 -9.497 1.00 0.00 C ATOM 131 NE1 TRP A 11 0.596 -3.285 -10.229 1.00 0.00 N ATOM 132 CE2 TRP A 11 -0.491 -4.117 -10.287 1.00 0.00 C ATOM 133 CE3 TRP A 11 -1.161 -6.258 -9.390 1.00 0.00 C ATOM 134 CZ2 TRP A 11 -1.699 -3.972 -10.963 1.00 0.00 C ATOM 135 CZ3 TRP A 11 -2.359 -6.112 -10.062 1.00 0.00 C ATOM 136 CH2 TRP A 11 -2.620 -4.977 -10.841 1.00 0.00 C ATOM 0 H TRP A 11 0.260 -4.894 -6.461 1.00 0.00 H new ATOM 0 HA TRP A 11 2.895 -6.070 -6.178 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.733 -6.377 -8.576 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.218 -6.862 -7.840 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.518 -3.423 -9.208 1.00 0.00 H new ATOM 0 HE1 TRP A 11 0.680 -2.385 -10.702 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.969 -7.137 -8.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -1.902 -3.097 -11.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.108 -6.886 -9.986 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.566 -4.894 -11.355 1.00 0.00 H new ATOM 147 N GLU A 12 4.403 -4.333 -7.330 1.00 0.00 N ATOM 148 CA GLU A 12 5.313 -3.231 -7.618 1.00 0.00 C ATOM 149 C GLU A 12 4.787 -2.377 -8.768 1.00 0.00 C ATOM 150 O GLU A 12 4.605 -2.861 -9.884 1.00 0.00 O ATOM 151 CB GLU A 12 6.705 -3.767 -7.962 1.00 0.00 C ATOM 152 CG GLU A 12 7.376 -4.500 -6.813 1.00 0.00 C ATOM 153 CD GLU A 12 8.533 -5.367 -7.271 1.00 0.00 C ATOM 154 OE1 GLU A 12 9.388 -4.862 -8.029 1.00 0.00 O ATOM 155 OE2 GLU A 12 8.583 -6.549 -6.873 1.00 0.00 O ATOM 0 H GLU A 12 4.827 -5.258 -7.392 1.00 0.00 H new ATOM 0 HA GLU A 12 5.381 -2.607 -6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.625 -4.441 -8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.339 -2.936 -8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.737 -3.774 -6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.640 -5.122 -6.304 1.00 0.00 H new ATOM 162 N GLY A 13 4.543 -1.101 -8.485 1.00 0.00 N ATOM 163 CA GLY A 13 4.038 -0.198 -9.504 1.00 0.00 C ATOM 164 C GLY A 13 2.527 -0.091 -9.487 1.00 0.00 C ATOM 165 O GLY A 13 1.893 -0.008 -10.538 1.00 0.00 O ATOM 0 H GLY A 13 4.686 -0.676 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.471 0.791 -9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.364 -0.544 -10.485 1.00 0.00 H new ATOM 169 N GLN A 14 1.948 -0.094 -8.290 1.00 0.00 N ATOM 170 CA GLN A 14 0.501 0.002 -8.141 1.00 0.00 C ATOM 171 C GLN A 14 0.125 1.138 -7.196 1.00 0.00 C ATOM 172 O GLN A 14 0.562 1.173 -6.046 1.00 0.00 O ATOM 173 CB GLN A 14 -0.068 -1.320 -7.621 1.00 0.00 C ATOM 174 CG GLN A 14 -1.456 -1.188 -7.015 1.00 0.00 C ATOM 175 CD GLN A 14 -2.151 -2.525 -6.852 1.00 0.00 C ATOM 176 OE1 GLN A 14 -2.244 -3.309 -7.797 1.00 0.00 O ATOM 177 NE2 GLN A 14 -2.643 -2.794 -5.648 1.00 0.00 N ATOM 0 H GLN A 14 2.459 -0.162 -7.410 1.00 0.00 H new ATOM 0 HA GLN A 14 0.073 0.213 -9.121 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.105 -2.038 -8.441 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.610 -1.728 -6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.379 -0.702 -6.042 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.064 -0.541 -7.647 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.543 -2.115 -4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.120 -3.679 -5.478 1.00 0.00 H new ATOM 186 N ASP A 15 -0.688 2.066 -7.689 1.00 0.00 N ATOM 187 CA ASP A 15 -1.124 3.204 -6.889 1.00 0.00 C ATOM 188 C ASP A 15 -2.003 2.747 -5.728 1.00 0.00 C ATOM 189 O ASP A 15 -3.050 2.133 -5.932 1.00 0.00 O ATOM 190 CB ASP A 15 -1.887 4.205 -7.759 1.00 0.00 C ATOM 191 CG ASP A 15 -0.971 5.229 -8.400 1.00 0.00 C ATOM 192 OD1 ASP A 15 -0.138 5.814 -7.678 1.00 0.00 O ATOM 193 OD2 ASP A 15 -1.090 5.446 -9.625 1.00 0.00 O ATOM 0 H ASP A 15 -1.058 2.052 -8.639 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.238 3.691 -6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.428 3.667 -8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.631 4.718 -7.150 1.00 0.00 H new ATOM 198 N VAL A 16 -1.569 3.051 -4.509 1.00 0.00 N ATOM 199 CA VAL A 16 -2.315 2.672 -3.315 1.00 0.00 C ATOM 200 C VAL A 16 -2.402 3.832 -2.330 1.00 0.00 C ATOM 201 O VAL A 16 -1.877 4.917 -2.583 1.00 0.00 O ATOM 202 CB VAL A 16 -1.672 1.462 -2.611 1.00 0.00 C ATOM 203 CG1 VAL A 16 -1.562 0.284 -3.567 1.00 0.00 C ATOM 204 CG2 VAL A 16 -0.307 1.835 -2.053 1.00 0.00 C ATOM 0 H VAL A 16 -0.704 3.559 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.319 2.401 -3.642 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.311 1.165 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.105 -0.561 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.556 0.003 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.945 0.565 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.133 0.969 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.343 2.158 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.417 2.646 -1.333 1.00 0.00 H new ATOM 214 N LEU A 17 -3.068 3.596 -1.205 1.00 0.00 N ATOM 215 CA LEU A 17 -3.224 4.622 -0.179 1.00 0.00 C ATOM 216 C LEU A 17 -2.675 4.141 1.160 1.00 0.00 C ATOM 217 O LEU A 17 -3.240 3.247 1.789 1.00 0.00 O ATOM 218 CB LEU A 17 -4.698 5.003 -0.031 1.00 0.00 C ATOM 219 CG LEU A 17 -5.427 5.377 -1.322 1.00 0.00 C ATOM 220 CD1 LEU A 17 -6.904 5.616 -1.051 1.00 0.00 C ATOM 221 CD2 LEU A 17 -4.794 6.607 -1.956 1.00 0.00 C ATOM 0 H LEU A 17 -3.508 2.704 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.657 5.500 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.224 4.167 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.768 5.844 0.659 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.336 4.545 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.406 5.881 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.350 4.709 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.015 6.429 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.326 6.858 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.853 7.445 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.749 6.400 -2.188 1.00 0.00 H new ATOM 233 N ALA A 18 -1.571 4.742 1.591 1.00 0.00 N ATOM 234 CA ALA A 18 -0.948 4.378 2.858 1.00 0.00 C ATOM 235 C ALA A 18 -1.440 5.273 3.989 1.00 0.00 C ATOM 236 O ALA A 18 -1.261 6.491 3.953 1.00 0.00 O ATOM 237 CB ALA A 18 0.568 4.456 2.742 1.00 0.00 C ATOM 0 H ALA A 18 -1.090 5.483 1.082 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.232 3.352 3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.020 4.182 3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.909 3.769 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.861 5.473 2.481 1.00 0.00 H new ATOM 243 N ARG A 19 -2.063 4.663 4.993 1.00 0.00 N ATOM 244 CA ARG A 19 -2.583 5.406 6.134 1.00 0.00 C ATOM 245 C ARG A 19 -1.446 6.005 6.957 1.00 0.00 C ATOM 246 O ARG A 19 -0.334 5.476 6.975 1.00 0.00 O ATOM 247 CB ARG A 19 -3.440 4.495 7.015 1.00 0.00 C ATOM 248 CG ARG A 19 -4.418 5.249 7.901 1.00 0.00 C ATOM 249 CD ARG A 19 -5.389 4.303 8.590 1.00 0.00 C ATOM 250 NE ARG A 19 -4.772 3.615 9.721 1.00 0.00 N ATOM 251 CZ ARG A 19 -5.463 3.081 10.722 1.00 0.00 C ATOM 252 NH1 ARG A 19 -6.787 3.156 10.732 1.00 0.00 N ATOM 253 NH2 ARG A 19 -4.830 2.471 11.716 1.00 0.00 N ATOM 0 H ARG A 19 -2.220 3.656 5.039 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.201 6.220 5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.996 3.807 6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.785 3.891 7.643 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.868 5.817 8.651 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.974 5.969 7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.257 4.864 8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.750 3.567 7.871 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.755 3.540 9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.277 3.624 9.970 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.315 2.745 11.502 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.812 2.412 11.712 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.362 2.061 12.484 1.00 0.00 H new ATOM 267 N TRP A 20 -1.732 7.110 7.636 1.00 0.00 N ATOM 268 CA TRP A 20 -0.733 7.780 8.460 1.00 0.00 C ATOM 269 C TRP A 20 -1.224 7.928 9.897 1.00 0.00 C ATOM 270 O TRP A 20 -0.711 7.278 10.809 1.00 0.00 O ATOM 271 CB TRP A 20 -0.401 9.155 7.878 1.00 0.00 C ATOM 272 CG TRP A 20 0.829 9.771 8.474 1.00 0.00 C ATOM 273 CD1 TRP A 20 0.878 10.691 9.482 1.00 0.00 C ATOM 274 CD2 TRP A 20 2.185 9.512 8.097 1.00 0.00 C ATOM 275 NE1 TRP A 20 2.184 11.020 9.754 1.00 0.00 N ATOM 276 CE2 TRP A 20 3.005 10.310 8.919 1.00 0.00 C ATOM 277 CE3 TRP A 20 2.788 8.683 7.147 1.00 0.00 C ATOM 278 CZ2 TRP A 20 4.394 10.302 8.817 1.00 0.00 C ATOM 279 CZ3 TRP A 20 4.166 8.677 7.046 1.00 0.00 C ATOM 280 CH2 TRP A 20 4.957 9.481 7.878 1.00 0.00 C ATOM 0 H TRP A 20 -2.647 7.561 7.632 1.00 0.00 H new ATOM 0 HA TRP A 20 0.169 7.168 8.464 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -0.267 9.063 6.800 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -1.247 9.823 8.038 1.00 0.00 H new ATOM 0 HD1 TRP A 20 0.017 11.100 9.990 1.00 0.00 H new ATOM 0 HE1 TRP A 20 2.492 11.685 10.463 1.00 0.00 H new ATOM 0 HE3 TRP A 20 2.187 8.058 6.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 5.005 10.922 9.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 4.642 8.042 6.313 1.00 0.00 H new ATOM 0 HH2 TRP A 20 6.032 9.452 7.776 1.00 0.00 H new ATOM 291 N THR A 21 -2.219 8.787 10.092 1.00 0.00 N ATOM 292 CA THR A 21 -2.778 9.021 11.418 1.00 0.00 C ATOM 293 C THR A 21 -4.225 9.492 11.330 1.00 0.00 C ATOM 294 O THR A 21 -4.722 9.801 10.247 1.00 0.00 O ATOM 295 CB THR A 21 -1.956 10.064 12.198 1.00 0.00 C ATOM 296 OG1 THR A 21 -1.749 11.228 11.390 1.00 0.00 O ATOM 297 CG2 THR A 21 -0.613 9.489 12.621 1.00 0.00 C ATOM 0 H THR A 21 -2.655 9.333 9.348 1.00 0.00 H new ATOM 0 HA THR A 21 -2.741 8.070 11.949 1.00 0.00 H new ATOM 0 HB THR A 21 -2.514 10.338 13.093 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.227 11.887 11.893 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.051 10.244 13.170 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.774 8.621 13.260 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.051 9.190 11.737 1.00 0.00 H new ATOM 305 N ASP A 22 -4.895 9.546 12.475 1.00 0.00 N ATOM 306 CA ASP A 22 -6.286 9.983 12.527 1.00 0.00 C ATOM 307 C ASP A 22 -7.117 9.279 11.458 1.00 0.00 C ATOM 308 O ASP A 22 -8.027 9.869 10.878 1.00 0.00 O ATOM 309 CB ASP A 22 -6.374 11.499 12.344 1.00 0.00 C ATOM 310 CG ASP A 22 -7.652 12.078 12.919 1.00 0.00 C ATOM 311 OD1 ASP A 22 -8.740 11.735 12.411 1.00 0.00 O ATOM 312 OD2 ASP A 22 -7.564 12.874 13.877 1.00 0.00 O ATOM 0 H ASP A 22 -4.498 9.293 13.380 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.688 9.720 13.505 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.517 11.970 12.824 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.316 11.738 11.282 1.00 0.00 H new ATOM 317 N GLY A 23 -6.795 8.015 11.203 1.00 0.00 N ATOM 318 CA GLY A 23 -7.520 7.253 10.203 1.00 0.00 C ATOM 319 C GLY A 23 -7.534 7.936 8.850 1.00 0.00 C ATOM 320 O GLY A 23 -8.519 7.854 8.115 1.00 0.00 O ATOM 0 H GLY A 23 -6.046 7.505 11.671 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.067 6.267 10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.545 7.100 10.540 1.00 0.00 H new ATOM 324 N LEU A 24 -6.440 8.614 8.521 1.00 0.00 N ATOM 325 CA LEU A 24 -6.330 9.316 7.247 1.00 0.00 C ATOM 326 C LEU A 24 -5.484 8.521 6.258 1.00 0.00 C ATOM 327 O LEU A 24 -4.441 7.973 6.616 1.00 0.00 O ATOM 328 CB LEU A 24 -5.720 10.703 7.458 1.00 0.00 C ATOM 329 CG LEU A 24 -6.571 11.698 8.247 1.00 0.00 C ATOM 330 CD1 LEU A 24 -5.714 12.847 8.757 1.00 0.00 C ATOM 331 CD2 LEU A 24 -7.713 12.222 7.389 1.00 0.00 C ATOM 0 H LEU A 24 -5.617 8.693 9.118 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.332 9.425 6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.766 10.584 7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.504 11.135 6.481 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.997 11.180 9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.337 13.545 9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.932 12.456 9.408 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.258 13.364 7.912 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.308 12.929 7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.307 12.723 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.343 11.390 7.074 1.00 0.00 H new ATOM 343 N LEU A 25 -5.939 8.463 5.011 1.00 0.00 N ATOM 344 CA LEU A 25 -5.224 7.737 3.968 1.00 0.00 C ATOM 345 C LEU A 25 -4.373 8.685 3.129 1.00 0.00 C ATOM 346 O LEU A 25 -4.821 9.768 2.752 1.00 0.00 O ATOM 347 CB LEU A 25 -6.211 6.990 3.069 1.00 0.00 C ATOM 348 CG LEU A 25 -7.119 5.976 3.767 1.00 0.00 C ATOM 349 CD1 LEU A 25 -8.111 5.381 2.780 1.00 0.00 C ATOM 350 CD2 LEU A 25 -6.290 4.879 4.420 1.00 0.00 C ATOM 0 H LEU A 25 -6.800 8.910 4.698 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.564 7.016 4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.840 7.724 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.646 6.470 2.296 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.679 6.493 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.749 4.662 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.727 6.176 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.570 4.878 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.952 4.166 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.704 4.364 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.619 5.320 5.158 1.00 0.00 H new ATOM 362 N TYR A 26 -3.145 8.271 2.840 1.00 0.00 N ATOM 363 CA TYR A 26 -2.231 9.083 2.046 1.00 0.00 C ATOM 364 C TYR A 26 -1.878 8.385 0.736 1.00 0.00 C ATOM 365 O TYR A 26 -1.820 7.156 0.669 1.00 0.00 O ATOM 366 CB TYR A 26 -0.956 9.377 2.839 1.00 0.00 C ATOM 367 CG TYR A 26 -1.165 10.341 3.985 1.00 0.00 C ATOM 368 CD1 TYR A 26 -2.184 10.143 4.908 1.00 0.00 C ATOM 369 CD2 TYR A 26 -0.343 11.450 4.144 1.00 0.00 C ATOM 370 CE1 TYR A 26 -2.379 11.022 5.957 1.00 0.00 C ATOM 371 CE2 TYR A 26 -0.529 12.333 5.190 1.00 0.00 C ATOM 372 CZ TYR A 26 -1.549 12.115 6.093 1.00 0.00 C ATOM 373 OH TYR A 26 -1.739 12.992 7.137 1.00 0.00 O ATOM 0 H TYR A 26 -2.759 7.377 3.144 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.731 10.023 1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.558 8.441 3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.204 9.786 2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.835 9.288 4.804 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.455 11.625 3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.176 10.854 6.666 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.120 13.189 5.300 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.070 13.707 7.090 1.00 0.00 H new ATOM 383 N LEU A 27 -1.643 9.177 -0.304 1.00 0.00 N ATOM 384 CA LEU A 27 -1.295 8.637 -1.614 1.00 0.00 C ATOM 385 C LEU A 27 0.124 8.078 -1.613 1.00 0.00 C ATOM 386 O LEU A 27 1.083 8.790 -1.319 1.00 0.00 O ATOM 387 CB LEU A 27 -1.428 9.720 -2.686 1.00 0.00 C ATOM 388 CG LEU A 27 -1.800 9.235 -4.087 1.00 0.00 C ATOM 389 CD1 LEU A 27 -2.384 10.374 -4.909 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.587 8.639 -4.786 1.00 0.00 C ATOM 0 H LEU A 27 -1.687 10.195 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.986 7.825 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.182 10.436 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.483 10.259 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.557 8.457 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.643 10.010 -5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.279 10.755 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.649 11.174 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.871 8.299 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.193 9.396 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.212 7.794 -4.208 1.00 0.00 H new ATOM 402 N GLY A 28 0.251 6.796 -1.946 1.00 0.00 N ATOM 403 CA GLY A 28 1.556 6.164 -1.979 1.00 0.00 C ATOM 404 C GLY A 28 1.715 5.222 -3.156 1.00 0.00 C ATOM 405 O GLY A 28 0.732 4.686 -3.669 1.00 0.00 O ATOM 0 H GLY A 28 -0.527 6.185 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.327 6.933 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.712 5.612 -1.052 1.00 0.00 H new ATOM 409 N THR A 29 2.956 5.021 -3.588 1.00 0.00 N ATOM 410 CA THR A 29 3.240 4.140 -4.714 1.00 0.00 C ATOM 411 C THR A 29 3.992 2.894 -4.261 1.00 0.00 C ATOM 412 O THR A 29 5.026 2.988 -3.600 1.00 0.00 O ATOM 413 CB THR A 29 4.066 4.860 -5.796 1.00 0.00 C ATOM 414 OG1 THR A 29 3.424 6.084 -6.169 1.00 0.00 O ATOM 415 CG2 THR A 29 4.238 3.977 -7.023 1.00 0.00 C ATOM 0 H THR A 29 3.781 5.457 -3.175 1.00 0.00 H new ATOM 0 HA THR A 29 2.279 3.847 -5.137 1.00 0.00 H new ATOM 0 HB THR A 29 5.051 5.078 -5.384 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.956 6.537 -6.856 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.825 4.507 -7.773 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.754 3.059 -6.741 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.259 3.732 -7.435 1.00 0.00 H new ATOM 423 N ILE A 30 3.467 1.728 -4.622 1.00 0.00 N ATOM 424 CA ILE A 30 4.091 0.463 -4.254 1.00 0.00 C ATOM 425 C ILE A 30 5.480 0.336 -4.870 1.00 0.00 C ATOM 426 O ILE A 30 5.624 -0.047 -6.031 1.00 0.00 O ATOM 427 CB ILE A 30 3.234 -0.738 -4.696 1.00 0.00 C ATOM 428 CG1 ILE A 30 1.857 -0.682 -4.031 1.00 0.00 C ATOM 429 CG2 ILE A 30 3.938 -2.044 -4.359 1.00 0.00 C ATOM 430 CD1 ILE A 30 1.901 -0.886 -2.533 1.00 0.00 C ATOM 0 H ILE A 30 2.611 1.633 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 30 4.176 0.458 -3.167 1.00 0.00 H new ATOM 0 HB ILE A 30 3.097 -0.690 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.398 0.283 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.217 -1.444 -4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.320 -2.883 -4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.897 -2.084 -4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.102 -2.102 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.890 -0.834 -2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.330 -1.863 -2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.514 -0.108 -2.078 1.00 0.00 H new ATOM 442 N LYS A 31 6.502 0.657 -4.083 1.00 0.00 N ATOM 443 CA LYS A 31 7.881 0.576 -4.548 1.00 0.00 C ATOM 444 C LYS A 31 8.425 -0.841 -4.395 1.00 0.00 C ATOM 445 O LYS A 31 9.067 -1.372 -5.302 1.00 0.00 O ATOM 446 CB LYS A 31 8.762 1.558 -3.772 1.00 0.00 C ATOM 447 CG LYS A 31 8.126 2.924 -3.580 1.00 0.00 C ATOM 448 CD LYS A 31 7.434 3.400 -4.846 1.00 0.00 C ATOM 449 CE LYS A 31 8.440 3.780 -5.922 1.00 0.00 C ATOM 450 NZ LYS A 31 9.237 4.978 -5.538 1.00 0.00 N ATOM 0 H LYS A 31 6.400 0.976 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 31 7.897 0.840 -5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.992 1.133 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.709 1.678 -4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.404 2.879 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.890 3.645 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.778 2.614 -5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.803 4.259 -4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.111 2.941 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.915 3.977 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.202 4.889 -5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.789 5.832 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.278 5.050 -4.501 1.00 0.00 H new ATOM 464 N LYS A 32 8.163 -1.449 -3.243 1.00 0.00 N ATOM 465 CA LYS A 32 8.623 -2.805 -2.972 1.00 0.00 C ATOM 466 C LYS A 32 7.538 -3.618 -2.273 1.00 0.00 C ATOM 467 O LYS A 32 6.680 -3.065 -1.584 1.00 0.00 O ATOM 468 CB LYS A 32 9.887 -2.774 -2.109 1.00 0.00 C ATOM 469 CG LYS A 32 10.645 -4.090 -2.093 1.00 0.00 C ATOM 470 CD LYS A 32 11.460 -4.249 -0.820 1.00 0.00 C ATOM 471 CE LYS A 32 10.571 -4.242 0.415 1.00 0.00 C ATOM 472 NZ LYS A 32 11.206 -4.954 1.559 1.00 0.00 N ATOM 0 H LYS A 32 7.634 -1.023 -2.482 1.00 0.00 H new ATOM 0 HA LYS A 32 8.852 -3.281 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.548 -1.988 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.613 -2.510 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.941 -4.917 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.306 -4.141 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.022 -5.182 -0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.189 -3.441 -0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.356 -3.213 0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.617 -4.713 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.530 -5.016 2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.481 -5.912 1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.051 -4.432 1.867 1.00 0.00 H new ATOM 486 N VAL A 33 7.582 -4.934 -2.453 1.00 0.00 N ATOM 487 CA VAL A 33 6.605 -5.824 -1.838 1.00 0.00 C ATOM 488 C VAL A 33 7.280 -7.052 -1.238 1.00 0.00 C ATOM 489 O VAL A 33 7.800 -7.902 -1.960 1.00 0.00 O ATOM 490 CB VAL A 33 5.543 -6.281 -2.856 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.203 -6.737 -4.148 1.00 0.00 C ATOM 492 CG2 VAL A 33 4.683 -7.389 -2.267 1.00 0.00 C ATOM 0 H VAL A 33 8.285 -5.408 -3.020 1.00 0.00 H new ATOM 0 HA VAL A 33 6.117 -5.258 -1.045 1.00 0.00 H new ATOM 0 HB VAL A 33 4.897 -5.434 -3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.437 -7.056 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.772 -5.912 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.874 -7.570 -3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.938 -7.700 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.313 -8.239 -2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.181 -7.023 -1.372 1.00 0.00 H new ATOM 502 N ASP A 34 7.268 -7.138 0.088 1.00 0.00 N ATOM 503 CA ASP A 34 7.877 -8.264 0.786 1.00 0.00 C ATOM 504 C ASP A 34 6.813 -9.239 1.279 1.00 0.00 C ATOM 505 O ASP A 34 5.734 -8.830 1.709 1.00 0.00 O ATOM 506 CB ASP A 34 8.716 -7.766 1.965 1.00 0.00 C ATOM 507 CG ASP A 34 9.889 -8.678 2.266 1.00 0.00 C ATOM 508 OD1 ASP A 34 9.677 -9.724 2.915 1.00 0.00 O ATOM 509 OD2 ASP A 34 11.020 -8.345 1.852 1.00 0.00 O ATOM 0 H ASP A 34 6.843 -6.442 0.701 1.00 0.00 H new ATOM 0 HA ASP A 34 8.525 -8.788 0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.085 -6.764 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.084 -7.688 2.850 1.00 0.00 H new ATOM 514 N SER A 35 7.124 -10.529 1.214 1.00 0.00 N ATOM 515 CA SER A 35 6.192 -11.563 1.649 1.00 0.00 C ATOM 516 C SER A 35 6.544 -12.057 3.049 1.00 0.00 C ATOM 517 O SER A 35 5.667 -12.443 3.821 1.00 0.00 O ATOM 518 CB SER A 35 6.202 -12.735 0.665 1.00 0.00 C ATOM 519 OG SER A 35 7.318 -13.579 0.887 1.00 0.00 O ATOM 0 H SER A 35 8.014 -10.884 0.864 1.00 0.00 H new ATOM 0 HA SER A 35 5.193 -11.129 1.676 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.282 -13.309 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.227 -12.356 -0.357 1.00 0.00 H new ATOM 0 HG SER A 35 7.300 -14.321 0.247 1.00 0.00 H new ATOM 525 N ALA A 36 7.834 -12.042 3.368 1.00 0.00 N ATOM 526 CA ALA A 36 8.302 -12.486 4.675 1.00 0.00 C ATOM 527 C ALA A 36 7.650 -11.682 5.794 1.00 0.00 C ATOM 528 O ALA A 36 7.003 -12.242 6.679 1.00 0.00 O ATOM 529 CB ALA A 36 9.818 -12.377 4.757 1.00 0.00 C ATOM 0 H ALA A 36 8.573 -11.727 2.739 1.00 0.00 H new ATOM 0 HA ALA A 36 8.016 -13.530 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.154 -12.712 5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.270 -13.001 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.117 -11.340 4.605 1.00 0.00 H new ATOM 535 N ARG A 37 7.826 -10.365 5.750 1.00 0.00 N ATOM 536 CA ARG A 37 7.256 -9.484 6.762 1.00 0.00 C ATOM 537 C ARG A 37 5.879 -8.984 6.335 1.00 0.00 C ATOM 538 O ARG A 37 5.286 -8.131 6.994 1.00 0.00 O ATOM 539 CB ARG A 37 8.185 -8.295 7.016 1.00 0.00 C ATOM 540 CG ARG A 37 9.454 -8.664 7.768 1.00 0.00 C ATOM 541 CD ARG A 37 9.206 -8.759 9.265 1.00 0.00 C ATOM 542 NE ARG A 37 10.377 -9.254 9.983 1.00 0.00 N ATOM 543 CZ ARG A 37 10.485 -9.248 11.307 1.00 0.00 C ATOM 544 NH1 ARG A 37 9.496 -8.774 12.053 1.00 0.00 N ATOM 545 NH2 ARG A 37 11.582 -9.716 11.887 1.00 0.00 N ATOM 0 H ARG A 37 8.359 -9.885 5.024 1.00 0.00 H new ATOM 0 HA ARG A 37 7.147 -10.055 7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.456 -7.846 6.061 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.644 -7.537 7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.833 -9.617 7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.224 -7.918 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.933 -7.777 9.650 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.360 -9.421 9.451 1.00 0.00 H new ATOM 0 HE ARG A 37 11.155 -9.625 9.438 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.651 -8.413 11.610 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.581 -8.770 13.069 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.344 -10.081 11.316 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.663 -9.711 12.904 1.00 0.00 H new ATOM 559 N GLU A 38 5.377 -9.522 5.227 1.00 0.00 N ATOM 560 CA GLU A 38 4.071 -9.129 4.712 1.00 0.00 C ATOM 561 C GLU A 38 3.924 -7.610 4.704 1.00 0.00 C ATOM 562 O GLU A 38 2.971 -7.064 5.262 1.00 0.00 O ATOM 563 CB GLU A 38 2.957 -9.756 5.553 1.00 0.00 C ATOM 564 CG GLU A 38 2.721 -11.226 5.252 1.00 0.00 C ATOM 565 CD GLU A 38 1.542 -11.797 6.015 1.00 0.00 C ATOM 566 OE1 GLU A 38 1.493 -11.617 7.250 1.00 0.00 O ATOM 567 OE2 GLU A 38 0.669 -12.423 5.379 1.00 0.00 O ATOM 0 H GLU A 38 5.855 -10.230 4.670 1.00 0.00 H new ATOM 0 HA GLU A 38 3.989 -9.490 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.204 -9.645 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.032 -9.206 5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.552 -11.351 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.618 -11.792 5.501 1.00 0.00 H new ATOM 574 N VAL A 39 4.874 -6.932 4.067 1.00 0.00 N ATOM 575 CA VAL A 39 4.850 -5.477 3.986 1.00 0.00 C ATOM 576 C VAL A 39 5.060 -5.004 2.552 1.00 0.00 C ATOM 577 O VAL A 39 5.237 -5.813 1.640 1.00 0.00 O ATOM 578 CB VAL A 39 5.930 -4.847 4.885 1.00 0.00 C ATOM 579 CG1 VAL A 39 6.061 -5.624 6.186 1.00 0.00 C ATOM 580 CG2 VAL A 39 7.263 -4.785 4.155 1.00 0.00 C ATOM 0 H VAL A 39 5.669 -7.367 3.600 1.00 0.00 H new ATOM 0 HA VAL A 39 3.867 -5.157 4.332 1.00 0.00 H new ATOM 0 HB VAL A 39 5.627 -3.828 5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.829 -5.164 6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.108 -5.610 6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.340 -6.655 5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.014 -4.337 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.575 -5.793 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.157 -4.181 3.254 1.00 0.00 H new ATOM 590 N CYS A 40 5.040 -3.690 2.359 1.00 0.00 N ATOM 591 CA CYS A 40 5.228 -3.107 1.035 1.00 0.00 C ATOM 592 C CYS A 40 5.821 -1.706 1.136 1.00 0.00 C ATOM 593 O CYS A 40 5.214 -0.804 1.715 1.00 0.00 O ATOM 594 CB CYS A 40 3.897 -3.058 0.283 1.00 0.00 C ATOM 595 SG CYS A 40 3.070 -4.660 0.141 1.00 0.00 S ATOM 0 H CYS A 40 4.895 -3.007 3.103 1.00 0.00 H new ATOM 0 HA CYS A 40 5.926 -3.737 0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.231 -2.361 0.791 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.071 -2.661 -0.717 1.00 0.00 H new ATOM 0 HG CYS A 40 2.915 -5.175 1.325 1.00 0.00 H new ATOM 601 N LEU A 41 7.011 -1.531 0.572 1.00 0.00 N ATOM 602 CA LEU A 41 7.688 -0.239 0.600 1.00 0.00 C ATOM 603 C LEU A 41 6.995 0.759 -0.322 1.00 0.00 C ATOM 604 O LEU A 41 7.108 0.673 -1.545 1.00 0.00 O ATOM 605 CB LEU A 41 9.152 -0.399 0.188 1.00 0.00 C ATOM 606 CG LEU A 41 10.065 0.794 0.472 1.00 0.00 C ATOM 607 CD1 LEU A 41 10.674 0.681 1.861 1.00 0.00 C ATOM 608 CD2 LEU A 41 11.155 0.896 -0.584 1.00 0.00 C ATOM 0 H LEU A 41 7.527 -2.267 0.090 1.00 0.00 H new ATOM 0 HA LEU A 41 7.644 0.144 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.559 -1.272 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.186 -0.611 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 41 9.465 1.703 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.321 1.539 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.879 0.659 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.259 -0.236 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.795 1.751 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.753 -0.015 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.699 1.026 -1.566 1.00 0.00 H new ATOM 620 N VAL A 42 6.279 1.708 0.273 1.00 0.00 N ATOM 621 CA VAL A 42 5.570 2.725 -0.494 1.00 0.00 C ATOM 622 C VAL A 42 6.295 4.065 -0.433 1.00 0.00 C ATOM 623 O VAL A 42 6.949 4.382 0.560 1.00 0.00 O ATOM 624 CB VAL A 42 4.128 2.910 0.016 1.00 0.00 C ATOM 625 CG1 VAL A 42 3.349 3.832 -0.909 1.00 0.00 C ATOM 626 CG2 VAL A 42 3.434 1.564 0.150 1.00 0.00 C ATOM 0 H VAL A 42 6.175 1.793 1.284 1.00 0.00 H new ATOM 0 HA VAL A 42 5.540 2.378 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 42 4.166 3.372 1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.333 3.951 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.838 4.806 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.317 3.401 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.417 1.714 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.405 1.071 -0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.982 0.941 0.857 1.00 0.00 H new ATOM 636 N GLN A 43 6.174 4.846 -1.502 1.00 0.00 N ATOM 637 CA GLN A 43 6.819 6.152 -1.569 1.00 0.00 C ATOM 638 C GLN A 43 5.803 7.272 -1.371 1.00 0.00 C ATOM 639 O GLN A 43 4.631 7.129 -1.720 1.00 0.00 O ATOM 640 CB GLN A 43 7.531 6.324 -2.912 1.00 0.00 C ATOM 641 CG GLN A 43 8.003 7.746 -3.172 1.00 0.00 C ATOM 642 CD GLN A 43 8.439 7.962 -4.608 1.00 0.00 C ATOM 643 OE1 GLN A 43 7.691 7.680 -5.545 1.00 0.00 O ATOM 644 NE2 GLN A 43 9.654 8.467 -4.789 1.00 0.00 N ATOM 0 H GLN A 43 5.636 4.597 -2.332 1.00 0.00 H new ATOM 0 HA GLN A 43 7.554 6.208 -0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.389 5.653 -2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.856 6.022 -3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.199 8.441 -2.932 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.834 7.977 -2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.240 8.686 -3.984 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.001 8.636 -5.733 1.00 0.00 H new ATOM 653 N PHE A 44 6.259 8.386 -0.809 1.00 0.00 N ATOM 654 CA PHE A 44 5.389 9.531 -0.564 1.00 0.00 C ATOM 655 C PHE A 44 5.795 10.718 -1.432 1.00 0.00 C ATOM 656 O PHE A 44 6.959 10.860 -1.803 1.00 0.00 O ATOM 657 CB PHE A 44 5.436 9.926 0.914 1.00 0.00 C ATOM 658 CG PHE A 44 5.022 8.821 1.843 1.00 0.00 C ATOM 659 CD1 PHE A 44 3.964 7.986 1.520 1.00 0.00 C ATOM 660 CD2 PHE A 44 5.690 8.617 3.039 1.00 0.00 C ATOM 661 CE1 PHE A 44 3.581 6.969 2.373 1.00 0.00 C ATOM 662 CE2 PHE A 44 5.311 7.601 3.897 1.00 0.00 C ATOM 663 CZ PHE A 44 4.256 6.775 3.563 1.00 0.00 C ATOM 0 H PHE A 44 7.226 8.521 -0.514 1.00 0.00 H new ATOM 0 HA PHE A 44 4.370 9.244 -0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.449 10.241 1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.786 10.786 1.073 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.433 8.132 0.591 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.517 9.259 3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.754 6.326 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.839 7.454 4.827 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.959 5.979 4.230 1.00 0.00 H new ATOM 673 N GLU A 45 4.824 11.568 -1.753 1.00 0.00 N ATOM 674 CA GLU A 45 5.079 12.742 -2.579 1.00 0.00 C ATOM 675 C GLU A 45 6.355 13.452 -2.135 1.00 0.00 C ATOM 676 O GLU A 45 6.966 14.192 -2.906 1.00 0.00 O ATOM 677 CB GLU A 45 3.894 13.708 -2.511 1.00 0.00 C ATOM 678 CG GLU A 45 2.575 13.083 -2.932 1.00 0.00 C ATOM 679 CD GLU A 45 1.573 14.111 -3.421 1.00 0.00 C ATOM 680 OE1 GLU A 45 1.643 14.488 -4.610 1.00 0.00 O ATOM 681 OE2 GLU A 45 0.720 14.539 -2.616 1.00 0.00 O ATOM 0 H GLU A 45 3.854 11.465 -1.454 1.00 0.00 H new ATOM 0 HA GLU A 45 5.208 12.409 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.800 14.083 -1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.099 14.567 -3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.758 12.355 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.150 12.539 -2.089 1.00 0.00 H new ATOM 688 N ASP A 46 6.750 13.221 -0.888 1.00 0.00 N ATOM 689 CA ASP A 46 7.953 13.838 -0.341 1.00 0.00 C ATOM 690 C ASP A 46 9.162 12.925 -0.521 1.00 0.00 C ATOM 691 O ASP A 46 9.979 12.774 0.388 1.00 0.00 O ATOM 692 CB ASP A 46 7.757 14.160 1.141 1.00 0.00 C ATOM 693 CG ASP A 46 8.985 14.797 1.762 1.00 0.00 C ATOM 694 OD1 ASP A 46 9.754 15.446 1.023 1.00 0.00 O ATOM 695 OD2 ASP A 46 9.178 14.645 2.987 1.00 0.00 O ATOM 0 H ASP A 46 6.255 12.611 -0.237 1.00 0.00 H new ATOM 0 HA ASP A 46 8.136 14.765 -0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.906 14.832 1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.514 13.244 1.680 1.00 0.00 H new ATOM 700 N ASP A 47 9.268 12.318 -1.698 1.00 0.00 N ATOM 701 CA ASP A 47 10.376 11.419 -1.997 1.00 0.00 C ATOM 702 C ASP A 47 10.731 10.569 -0.780 1.00 0.00 C ATOM 703 O ASP A 47 11.867 10.120 -0.635 1.00 0.00 O ATOM 704 CB ASP A 47 11.600 12.217 -2.451 1.00 0.00 C ATOM 705 CG ASP A 47 11.343 12.993 -3.728 1.00 0.00 C ATOM 706 OD1 ASP A 47 10.878 12.380 -4.712 1.00 0.00 O ATOM 707 OD2 ASP A 47 11.607 14.214 -3.743 1.00 0.00 O ATOM 0 H ASP A 47 8.600 12.432 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 47 10.065 10.755 -2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.893 12.909 -1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.437 11.536 -2.605 1.00 0.00 H new ATOM 712 N SER A 48 9.750 10.354 0.091 1.00 0.00 N ATOM 713 CA SER A 48 9.960 9.563 1.298 1.00 0.00 C ATOM 714 C SER A 48 9.439 8.141 1.112 1.00 0.00 C ATOM 715 O SER A 48 8.230 7.912 1.084 1.00 0.00 O ATOM 716 CB SER A 48 9.266 10.221 2.492 1.00 0.00 C ATOM 717 OG SER A 48 9.875 9.836 3.712 1.00 0.00 O ATOM 0 H SER A 48 8.803 10.716 -0.017 1.00 0.00 H new ATOM 0 HA SER A 48 11.032 9.517 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.307 11.305 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.213 9.941 2.504 1.00 0.00 H new ATOM 0 HG SER A 48 9.414 10.271 4.459 1.00 0.00 H new ATOM 723 N GLN A 49 10.360 7.192 0.987 1.00 0.00 N ATOM 724 CA GLN A 49 9.994 5.792 0.803 1.00 0.00 C ATOM 725 C GLN A 49 10.332 4.974 2.045 1.00 0.00 C ATOM 726 O GLN A 49 11.496 4.868 2.433 1.00 0.00 O ATOM 727 CB GLN A 49 10.711 5.211 -0.417 1.00 0.00 C ATOM 728 CG GLN A 49 10.998 6.238 -1.500 1.00 0.00 C ATOM 729 CD GLN A 49 12.001 5.742 -2.523 1.00 0.00 C ATOM 730 OE1 GLN A 49 12.468 4.606 -2.451 1.00 0.00 O ATOM 731 NE2 GLN A 49 12.337 6.595 -3.484 1.00 0.00 N ATOM 0 H GLN A 49 11.365 7.366 1.010 1.00 0.00 H new ATOM 0 HA GLN A 49 8.917 5.742 0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.651 4.762 -0.096 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.103 4.411 -0.839 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.068 6.498 -2.005 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.376 7.151 -1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.925 7.528 -3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.007 6.317 -4.201 1.00 0.00 H new ATOM 740 N PHE A 50 9.308 4.396 2.664 1.00 0.00 N ATOM 741 CA PHE A 50 9.497 3.587 3.863 1.00 0.00 C ATOM 742 C PHE A 50 8.778 2.247 3.734 1.00 0.00 C ATOM 743 O PHE A 50 8.136 1.969 2.720 1.00 0.00 O ATOM 744 CB PHE A 50 8.986 4.337 5.095 1.00 0.00 C ATOM 745 CG PHE A 50 9.605 3.869 6.381 1.00 0.00 C ATOM 746 CD1 PHE A 50 10.980 3.892 6.551 1.00 0.00 C ATOM 747 CD2 PHE A 50 8.813 3.407 7.419 1.00 0.00 C ATOM 748 CE1 PHE A 50 11.553 3.462 7.733 1.00 0.00 C ATOM 749 CE2 PHE A 50 9.380 2.975 8.603 1.00 0.00 C ATOM 750 CZ PHE A 50 10.751 3.004 8.761 1.00 0.00 C ATOM 0 H PHE A 50 8.339 4.473 2.355 1.00 0.00 H new ATOM 0 HA PHE A 50 10.564 3.397 3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.186 5.401 4.971 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.904 4.221 5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 50 11.611 4.250 5.751 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.740 3.384 7.302 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.626 3.484 7.853 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.751 2.615 9.404 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.196 2.669 9.686 1.00 0.00 H new ATOM 760 N LEU A 51 8.891 1.421 4.768 1.00 0.00 N ATOM 761 CA LEU A 51 8.253 0.109 4.772 1.00 0.00 C ATOM 762 C LEU A 51 6.860 0.183 5.390 1.00 0.00 C ATOM 763 O LEU A 51 6.714 0.406 6.591 1.00 0.00 O ATOM 764 CB LEU A 51 9.112 -0.896 5.541 1.00 0.00 C ATOM 765 CG LEU A 51 10.169 -1.639 4.724 1.00 0.00 C ATOM 766 CD1 LEU A 51 11.011 -2.530 5.624 1.00 0.00 C ATOM 767 CD2 LEU A 51 9.513 -2.459 3.623 1.00 0.00 C ATOM 0 H LEU A 51 9.418 1.636 5.614 1.00 0.00 H new ATOM 0 HA LEU A 51 8.155 -0.223 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.613 -0.369 6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.452 -1.632 5.999 1.00 0.00 H new ATOM 0 HG LEU A 51 10.825 -0.903 4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.758 -3.051 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.511 -1.919 6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.369 -3.260 6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.281 -2.981 3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.833 -3.186 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.954 -1.798 2.961 1.00 0.00 H new ATOM 779 N VAL A 52 5.839 -0.009 4.560 1.00 0.00 N ATOM 780 CA VAL A 52 4.458 0.033 5.025 1.00 0.00 C ATOM 781 C VAL A 52 3.829 -1.356 5.005 1.00 0.00 C ATOM 782 O VAL A 52 3.741 -1.994 3.955 1.00 0.00 O ATOM 783 CB VAL A 52 3.605 0.984 4.165 1.00 0.00 C ATOM 784 CG1 VAL A 52 2.284 1.288 4.856 1.00 0.00 C ATOM 785 CG2 VAL A 52 4.369 2.265 3.870 1.00 0.00 C ATOM 0 H VAL A 52 5.943 -0.195 3.562 1.00 0.00 H new ATOM 0 HA VAL A 52 4.480 0.404 6.050 1.00 0.00 H new ATOM 0 HB VAL A 52 3.387 0.492 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.694 1.961 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.732 0.361 5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.477 1.760 5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.751 2.925 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.619 2.763 4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.285 2.026 3.330 1.00 0.00 H new ATOM 795 N LEU A 53 3.393 -1.819 6.171 1.00 0.00 N ATOM 796 CA LEU A 53 2.771 -3.133 6.287 1.00 0.00 C ATOM 797 C LEU A 53 1.694 -3.322 5.224 1.00 0.00 C ATOM 798 O LEU A 53 1.313 -2.374 4.537 1.00 0.00 O ATOM 799 CB LEU A 53 2.165 -3.310 7.681 1.00 0.00 C ATOM 800 CG LEU A 53 3.156 -3.350 8.844 1.00 0.00 C ATOM 801 CD1 LEU A 53 2.427 -3.216 10.172 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.970 -4.635 8.807 1.00 0.00 C ATOM 0 H LEU A 53 3.459 -1.304 7.049 1.00 0.00 H new ATOM 0 HA LEU A 53 3.542 -3.888 6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.463 -2.495 7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.588 -4.235 7.690 1.00 0.00 H new ATOM 0 HG LEU A 53 3.840 -2.507 8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.149 -3.247 10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.890 -2.268 10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.719 -4.037 10.283 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.670 -4.646 9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.301 -5.492 8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.523 -4.689 7.869 1.00 0.00 H new ATOM 814 N TRP A 54 1.206 -4.551 5.095 1.00 0.00 N ATOM 815 CA TRP A 54 0.171 -4.863 4.117 1.00 0.00 C ATOM 816 C TRP A 54 -1.182 -4.321 4.564 1.00 0.00 C ATOM 817 O TRP A 54 -1.960 -3.818 3.752 1.00 0.00 O ATOM 818 CB TRP A 54 0.082 -6.375 3.903 1.00 0.00 C ATOM 819 CG TRP A 54 1.134 -6.907 2.976 1.00 0.00 C ATOM 820 CD1 TRP A 54 2.231 -6.239 2.513 1.00 0.00 C ATOM 821 CD2 TRP A 54 1.185 -8.216 2.400 1.00 0.00 C ATOM 822 NE1 TRP A 54 2.962 -7.054 1.683 1.00 0.00 N ATOM 823 CE2 TRP A 54 2.342 -8.273 1.598 1.00 0.00 C ATOM 824 CE3 TRP A 54 0.369 -9.347 2.485 1.00 0.00 C ATOM 825 CZ2 TRP A 54 2.699 -9.415 0.886 1.00 0.00 C ATOM 826 CZ3 TRP A 54 0.724 -10.480 1.777 1.00 0.00 C ATOM 827 CH2 TRP A 54 1.881 -10.507 0.987 1.00 0.00 C ATOM 0 H TRP A 54 1.511 -5.347 5.655 1.00 0.00 H new ATOM 0 HA TRP A 54 0.440 -4.384 3.175 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.170 -6.877 4.867 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.902 -6.621 3.504 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.487 -5.220 2.763 1.00 0.00 H new ATOM 0 HE1 TRP A 54 3.826 -6.794 1.207 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.523 -9.336 3.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.590 -9.438 0.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.099 -11.359 1.834 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.132 -11.408 0.447 1.00 0.00 H new ATOM 838 N LYS A 55 -1.458 -4.425 5.859 1.00 0.00 N ATOM 839 CA LYS A 55 -2.717 -3.944 6.415 1.00 0.00 C ATOM 840 C LYS A 55 -2.765 -2.419 6.413 1.00 0.00 C ATOM 841 O LYS A 55 -3.757 -1.820 5.996 1.00 0.00 O ATOM 842 CB LYS A 55 -2.903 -4.468 7.841 1.00 0.00 C ATOM 843 CG LYS A 55 -1.794 -4.051 8.792 1.00 0.00 C ATOM 844 CD LYS A 55 -2.060 -4.538 10.206 1.00 0.00 C ATOM 845 CE LYS A 55 -0.890 -4.235 11.129 1.00 0.00 C ATOM 846 NZ LYS A 55 -1.327 -4.066 12.543 1.00 0.00 N ATOM 0 H LYS A 55 -0.826 -4.839 6.544 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.527 -4.317 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.857 -4.110 8.229 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.958 -5.556 7.815 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.843 -4.451 8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.702 -2.965 8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.962 -4.063 10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.246 -5.612 10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.161 -5.043 11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.388 -3.327 10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.500 -3.861 13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.003 -3.278 12.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.783 -4.941 12.872 1.00 0.00 H new ATOM 860 N ASP A 56 -1.688 -1.797 6.880 1.00 0.00 N ATOM 861 CA ASP A 56 -1.606 -0.342 6.929 1.00 0.00 C ATOM 862 C ASP A 56 -1.966 0.268 5.578 1.00 0.00 C ATOM 863 O ASP A 56 -2.498 1.376 5.508 1.00 0.00 O ATOM 864 CB ASP A 56 -0.201 0.097 7.344 1.00 0.00 C ATOM 865 CG ASP A 56 0.122 -0.275 8.777 1.00 0.00 C ATOM 866 OD1 ASP A 56 -0.802 -0.259 9.618 1.00 0.00 O ATOM 867 OD2 ASP A 56 1.299 -0.583 9.059 1.00 0.00 O ATOM 0 H ASP A 56 -0.859 -2.278 7.230 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.322 0.013 7.670 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.531 -0.361 6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.110 1.176 7.223 1.00 0.00 H new ATOM 872 N ILE A 57 -1.670 -0.461 4.507 1.00 0.00 N ATOM 873 CA ILE A 57 -1.961 0.009 3.159 1.00 0.00 C ATOM 874 C ILE A 57 -3.435 -0.184 2.816 1.00 0.00 C ATOM 875 O ILE A 57 -4.099 -1.066 3.360 1.00 0.00 O ATOM 876 CB ILE A 57 -1.102 -0.721 2.110 1.00 0.00 C ATOM 877 CG1 ILE A 57 0.384 -0.559 2.434 1.00 0.00 C ATOM 878 CG2 ILE A 57 -1.407 -0.194 0.716 1.00 0.00 C ATOM 879 CD1 ILE A 57 1.237 -1.713 1.954 1.00 0.00 C ATOM 0 H ILE A 57 -1.229 -1.380 4.547 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.721 1.072 3.137 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.346 -1.783 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.748 0.364 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.503 -0.454 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.792 -0.720 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.460 -0.357 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.188 0.873 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.279 -1.530 2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.900 -2.636 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.148 -1.806 0.872 1.00 0.00 H new ATOM 891 N SER A 58 -3.940 0.646 1.909 1.00 0.00 N ATOM 892 CA SER A 58 -5.335 0.569 1.495 1.00 0.00 C ATOM 893 C SER A 58 -5.448 0.509 -0.025 1.00 0.00 C ATOM 894 O SER A 58 -4.719 1.182 -0.755 1.00 0.00 O ATOM 895 CB SER A 58 -6.116 1.772 2.029 1.00 0.00 C ATOM 896 OG SER A 58 -7.410 1.835 1.456 1.00 0.00 O ATOM 0 H SER A 58 -3.403 1.380 1.447 1.00 0.00 H new ATOM 0 HA SER A 58 -5.761 -0.344 1.910 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.198 1.704 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.572 2.690 1.808 1.00 0.00 H new ATOM 0 HG SER A 58 -7.889 2.611 1.815 1.00 0.00 H new ATOM 902 N PRO A 59 -6.385 -0.316 -0.516 1.00 0.00 N ATOM 903 CA PRO A 59 -6.617 -0.484 -1.954 1.00 0.00 C ATOM 904 C PRO A 59 -7.236 0.756 -2.590 1.00 0.00 C ATOM 905 O PRO A 59 -8.376 1.113 -2.295 1.00 0.00 O ATOM 906 CB PRO A 59 -7.591 -1.663 -2.021 1.00 0.00 C ATOM 907 CG PRO A 59 -8.294 -1.648 -0.707 1.00 0.00 C ATOM 908 CD PRO A 59 -7.290 -1.148 0.294 1.00 0.00 C ATOM 0 HA PRO A 59 -5.688 -0.650 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.293 -1.550 -2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.064 -2.604 -2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.169 -0.999 -0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.647 -2.645 -0.442 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.766 -0.570 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.758 -1.969 0.774 1.00 0.00 H new ATOM 916 N ALA A 60 -6.477 1.408 -3.465 1.00 0.00 N ATOM 917 CA ALA A 60 -6.952 2.607 -4.144 1.00 0.00 C ATOM 918 C ALA A 60 -7.966 2.257 -5.229 1.00 0.00 C ATOM 919 O ALA A 60 -7.673 1.482 -6.139 1.00 0.00 O ATOM 920 CB ALA A 60 -5.782 3.375 -4.740 1.00 0.00 C ATOM 0 H ALA A 60 -5.531 1.126 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.449 3.239 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.152 4.268 -5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.095 3.665 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.260 2.743 -5.458 1.00 0.00 H new ATOM 926 N ALA A 61 -9.159 2.834 -5.125 1.00 0.00 N ATOM 927 CA ALA A 61 -10.215 2.584 -6.098 1.00 0.00 C ATOM 928 C ALA A 61 -10.552 3.849 -6.879 1.00 0.00 C ATOM 929 O ALA A 61 -11.059 4.821 -6.318 1.00 0.00 O ATOM 930 CB ALA A 61 -11.456 2.044 -5.403 1.00 0.00 C ATOM 0 H ALA A 61 -9.418 3.477 -4.377 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.854 1.837 -6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.237 1.862 -6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.212 1.111 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.810 2.772 -4.673 1.00 0.00 H new ATOM 936 N LEU A 62 -10.267 3.831 -8.177 1.00 0.00 N ATOM 937 CA LEU A 62 -10.540 4.979 -9.036 1.00 0.00 C ATOM 938 C LEU A 62 -11.551 4.619 -10.120 1.00 0.00 C ATOM 939 O LEU A 62 -12.492 5.369 -10.379 1.00 0.00 O ATOM 940 CB LEU A 62 -9.245 5.481 -9.676 1.00 0.00 C ATOM 941 CG LEU A 62 -9.406 6.482 -10.820 1.00 0.00 C ATOM 942 CD1 LEU A 62 -9.758 7.859 -10.279 1.00 0.00 C ATOM 943 CD2 LEU A 62 -8.136 6.545 -11.657 1.00 0.00 C ATOM 0 H LEU A 62 -9.847 3.035 -8.657 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.964 5.771 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.635 5.942 -8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.690 4.620 -10.049 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.222 6.145 -11.459 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.869 8.558 -11.108 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.694 7.803 -9.724 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.964 8.204 -9.617 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.269 7.263 -12.467 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.301 6.857 -11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.927 5.561 -12.076 1.00 0.00 H new ATOM 955 N SER A 63 -11.350 3.465 -10.749 1.00 0.00 N ATOM 956 CA SER A 63 -12.243 3.006 -11.807 1.00 0.00 C ATOM 957 C SER A 63 -13.277 2.028 -11.258 1.00 0.00 C ATOM 958 O SER A 63 -14.459 2.104 -11.593 1.00 0.00 O ATOM 959 CB SER A 63 -11.441 2.342 -12.928 1.00 0.00 C ATOM 960 OG SER A 63 -10.683 1.251 -12.436 1.00 0.00 O ATOM 0 H SER A 63 -10.577 2.831 -10.544 1.00 0.00 H new ATOM 0 HA SER A 63 -12.766 3.874 -12.209 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.119 1.995 -13.708 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.776 3.074 -13.386 1.00 0.00 H new ATOM 0 HG SER A 63 -10.181 0.843 -13.172 1.00 0.00 H new ATOM 966 N GLY A 64 -12.823 1.108 -10.413 1.00 0.00 N ATOM 967 CA GLY A 64 -13.720 0.128 -9.831 1.00 0.00 C ATOM 968 C GLY A 64 -13.253 -1.296 -10.063 1.00 0.00 C ATOM 969 O GLY A 64 -12.650 -1.614 -11.088 1.00 0.00 O ATOM 0 H GLY A 64 -11.849 1.024 -10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.805 0.309 -8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.716 0.254 -10.256 1.00 0.00 H new ATOM 973 N PRO A 65 -13.533 -2.180 -9.094 1.00 0.00 N ATOM 974 CA PRO A 65 -13.145 -3.592 -9.175 1.00 0.00 C ATOM 975 C PRO A 65 -13.939 -4.351 -10.233 1.00 0.00 C ATOM 976 O PRO A 65 -15.071 -4.769 -9.991 1.00 0.00 O ATOM 977 CB PRO A 65 -13.466 -4.128 -7.778 1.00 0.00 C ATOM 978 CG PRO A 65 -14.534 -3.227 -7.262 1.00 0.00 C ATOM 979 CD PRO A 65 -14.249 -1.871 -7.846 1.00 0.00 C ATOM 0 HA PRO A 65 -12.101 -3.713 -9.463 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.807 -5.162 -7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.586 -4.108 -7.135 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.521 -3.581 -7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.523 -3.193 -6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.167 -1.315 -8.037 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.642 -1.264 -7.174 1.00 0.00 H new ATOM 987 N SER A 66 -13.338 -4.526 -11.405 1.00 0.00 N ATOM 988 CA SER A 66 -13.990 -5.233 -12.501 1.00 0.00 C ATOM 989 C SER A 66 -15.338 -4.598 -12.831 1.00 0.00 C ATOM 990 O SER A 66 -16.333 -5.295 -13.028 1.00 0.00 O ATOM 991 CB SER A 66 -14.182 -6.708 -12.143 1.00 0.00 C ATOM 992 OG SER A 66 -12.942 -7.393 -12.120 1.00 0.00 O ATOM 0 H SER A 66 -12.400 -4.188 -11.620 1.00 0.00 H new ATOM 0 HA SER A 66 -13.349 -5.161 -13.379 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.664 -6.789 -11.169 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.847 -7.178 -12.868 1.00 0.00 H new ATOM 0 HG SER A 66 -13.092 -8.333 -11.887 1.00 0.00 H new ATOM 998 N SER A 67 -15.361 -3.270 -12.888 1.00 0.00 N ATOM 999 CA SER A 67 -16.587 -2.540 -13.190 1.00 0.00 C ATOM 1000 C SER A 67 -17.023 -2.782 -14.631 1.00 0.00 C ATOM 1001 O SER A 67 -18.157 -3.185 -14.889 1.00 0.00 O ATOM 1002 CB SER A 67 -16.385 -1.042 -12.951 1.00 0.00 C ATOM 1003 OG SER A 67 -17.617 -0.345 -13.013 1.00 0.00 O ATOM 0 H SER A 67 -14.546 -2.678 -12.729 1.00 0.00 H new ATOM 0 HA SER A 67 -17.371 -2.905 -12.526 1.00 0.00 H new ATOM 0 HB2 SER A 67 -15.924 -0.885 -11.976 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.699 -0.641 -13.697 1.00 0.00 H new ATOM 0 HG SER A 67 -17.461 0.610 -12.855 1.00 0.00 H new ATOM 1009 N GLY A 68 -16.113 -2.534 -15.568 1.00 0.00 N ATOM 1010 CA GLY A 68 -16.422 -2.730 -16.973 1.00 0.00 C ATOM 1011 C GLY A 68 -15.392 -2.096 -17.887 1.00 0.00 C ATOM 1012 O GLY A 68 -15.702 -1.729 -19.020 1.00 0.00 O ATOM 0 H GLY A 68 -15.167 -2.201 -15.380 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.481 -3.798 -17.183 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.403 -2.308 -17.188 1.00 0.00 H new TER 1016 GLY A 68